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IBS-ZINC01747593

 MMsINC code: MMs01772418
Type: Neutral
Formula: C20H30N2O2S
SMILES:   s1c2c(CCCC2)c(C(=O)N)c1NC(=O)CCCCCCCCC=C
InChI:   InChI=1/C20H30N2O2S/c1-2-3-4-5-6-7-8-9-14-17(23)22-20-18(19(21)24)15-12-10-11-13-16(15)25-20/h2H,1,3-14H2,(H2,21,24)(H,22,23)

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Potential Energy
Epot(MMFF94)=43.6085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.538 g/mol  logS: -6.8712  SlogP: 4.97104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147823  Sterimol/B1: 2.30611  Sterimol/B2: 3.82743  Sterimol/B3: 4.32373
  Sterimol/B4: 5.72087  Sterimol/L: 24.1136 
 
 Surface and Volume Properties
  Accessible surface: 711.007  Positive charged surface: 517.185  Negative charged surface: 193.822  Volume: 372
  Hydrophobic surface: 528.873  Hydrophilic surface: 182.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.